Geometry & MOs

Info

ID:	279787
PubChem CID:	103845189
Reduced:	OCl2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	2.5
IP(EA), eV:	-8.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)N)NCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations